| CAS Number | 206346-77-2 |
| Catalog Number | AG01A2MK(AGN-PC-0QW0CN) |
| Chemical Name | 2,2-Difluoro-2-(1-hydroxycyclohexyl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid |
| InChI | InChI=1S/C8H12F2O3/c9-8(10,6(11)12)7(13)4-2-1-3-5-7/h13H,1-5H2,(H,11,12) |
| InChI Key | CJCOBYDZAQJLGO-UHFFFAOYSA-N |
| MDL Number | MFCD16749736 |
| Molecular Formula | C8H12F2O3 |
| Molecular Weight | 194.1759 |
| SMILES | OC(C(C1(CCCCC1)O)(F)F)=O |
| Synonyms | 2,2-difluoro-2-(1-hydroxycyclohexyl)acetic acid,
206346-77-2,
SCHEMBL15114527,
CJCOBYDZAQJLGO-UHFFFAOYSA-N,
ZINC52265783,
AKOS011683722,
NE20147,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.178g/mol |
| Monoisotopic Mass | 194.075g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number